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3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C21H23N3OS — CID 153311108

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCc3ccc4c(c3)CNCC4)sc2n1
InChIInChI=1S/C21H23N3OS/c1-13-3-6-18-14(2)19(26-21(18)24-13)20(25)23-10-7-15-4-5-16-8-9-22-12-17(16)11-15/h3-6,11,22H,7-10,12H2,1-2H3,(H,23,25)
InChIKeyQYGDYPIDBIYXAK-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.53
Rot. Bonds4

About 3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 153311108) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID153311108
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCc3ccc4c(c3)CNCC4)sc2n1
InChIInChI=1S/C21H23N3OS/c1-13-3-6-18-14(2)19(26-21(18)24-13)20(25)23-10-7-15-4-5-16-8-9-22-12-17(16)11-15/h3-6,11,22H,7-10,12H2,1-2H3,(H,23,25)
InChIKeyQYGDYPIDBIYXAK-UHFFFAOYSA-N
XLogP3.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 153311108) is 3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCCc3ccc4c(c3)CNCC4)sc2n1.
What is the InChIKey of 3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QYGDYPIDBIYXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-13-3-6-18-14(2)19(26-21(18)24-13)20(25)23-10-7-15-4-5-16-8-9-22-12-17(16)11-15/h3-6,11,22H,7-10,12H2,1-2H3,(H,23,25).
What are the key properties of 3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 153311108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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